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13949-67-2 | Propanoic acid, 2-(1-naphthalenyloxy)-
CAS No: 13949-67-2 Catalog No: AG001B4Y MDL No:MFCD00021470
Product Description
Catalog Number:
AG001B4Y
Chemical Name:
Propanoic acid, 2-(1-naphthalenyloxy)-
CAS Number:
13949-67-2
Molecular Formula:
C13H12O3
Molecular Weight:
216.2326
MDL Number:
MFCD00021470
IUPAC Name:
2-naphthalen-1-yloxypropanoic acid
InChI:
InChI=1S/C13H12O3/c1-9(13(14)15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,14,15)
InChI Key:
KTAVXDDWEGVLRN-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1cccc2c1cccc2)C
NSC Number:
523899
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.236g/mol
Monoisotopic Mass:
216.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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